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BDBM50223170 CHEMBL239655::N,N-dimethyl-4-[(5-methylisoxazol-3-yl)oxy]but-2-yn-1-amine methiodide

SMILES: Cc1cc(OCC#CC[N+](C)(C)C)no1

InChI Key: InChIKey=SHEUDFANHWXKDD-UHFFFAOYSA-N

Data: 5 KI  1 Kd

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50223170   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50223170
PNG
(CHEMBL239655 | N,N-dimethyl-4-[(5-methylisoxazol-3...)
Show SMILES Cc1cc(OCC#CC[N+](C)(C)C)no1
Show InChI InChI=1S/C11H17N2O2/c1-10-9-11(12-15-10)14-8-6-5-7-13(2,3)4/h9H,7-8H2,1-4H3/q+1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
50n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]QNB from human muscarinic M2 receptor expressed in CHO cells


Bioorg Med Chem 15: 7626-37 (2007)


Article DOI: 10.1016/j.bmc.2007.09.003
BindingDB Entry DOI: 10.7270/Q29K4C27
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50223170
PNG
(CHEMBL239655 | N,N-dimethyl-4-[(5-methylisoxazol-3...)
Show SMILES Cc1cc(OCC#CC[N+](C)(C)C)no1
Show InChI InChI=1S/C11H17N2O2/c1-10-9-11(12-15-10)14-8-6-5-7-13(2,3)4/h9H,7-8H2,1-4H3/q+1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
682n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]QNB from human muscarinic M4 receptor expressed in CHO cells


Bioorg Med Chem 15: 7626-37 (2007)


Article DOI: 10.1016/j.bmc.2007.09.003
BindingDB Entry DOI: 10.7270/Q29K4C27
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50223170
PNG
(CHEMBL239655 | N,N-dimethyl-4-[(5-methylisoxazol-3...)
Show SMILES Cc1cc(OCC#CC[N+](C)(C)C)no1
Show InChI InChI=1S/C11H17N2O2/c1-10-9-11(12-15-10)14-8-6-5-7-13(2,3)4/h9H,7-8H2,1-4H3/q+1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
4.00E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]QNB from human muscarinic M3 receptor expressed in CHO cells


Bioorg Med Chem 15: 7626-37 (2007)


Article DOI: 10.1016/j.bmc.2007.09.003
BindingDB Entry DOI: 10.7270/Q29K4C27
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M5 chimeric protein


(Homo sapiens (Human))
BDBM50223170
PNG
(CHEMBL239655 | N,N-dimethyl-4-[(5-methylisoxazol-3...)
Show SMILES Cc1cc(OCC#CC[N+](C)(C)C)no1
Show InChI InChI=1S/C11H17N2O2/c1-10-9-11(12-15-10)14-8-6-5-7-13(2,3)4/h9H,7-8H2,1-4H3/q+1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
6.31E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]QNB from human muscarinic M5 receptor expressed in CHO cells


Bioorg Med Chem 15: 7626-37 (2007)


Article DOI: 10.1016/j.bmc.2007.09.003
BindingDB Entry DOI: 10.7270/Q29K4C27
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50223170
PNG
(CHEMBL239655 | N,N-dimethyl-4-[(5-methylisoxazol-3...)
Show SMILES Cc1cc(OCC#CC[N+](C)(C)C)no1
Show InChI InChI=1S/C11H17N2O2/c1-10-9-11(12-15-10)14-8-6-5-7-13(2,3)4/h9H,7-8H2,1-4H3/q+1
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]QNB from human muscarinic M1 receptor expressed in CHO cells


Bioorg Med Chem 15: 7626-37 (2007)


Article DOI: 10.1016/j.bmc.2007.09.003
BindingDB Entry DOI: 10.7270/Q29K4C27
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Cavia porcellus)
BDBM50223170
PNG
(CHEMBL239655 | N,N-dimethyl-4-[(5-methylisoxazol-3...)
Show SMILES Cc1cc(OCC#CC[N+](C)(C)C)no1
Show InChI InChI=1S/C11H17N2O2/c1-10-9-11(12-15-10)14-8-6-5-7-13(2,3)4/h9H,7-8H2,1-4H3/q+1
MMDB

Reactome pathway
KEGG

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 676n/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Binding affinity to muscarinic M3 receptor in guinea-pig ileum


Bioorg Med Chem 15: 7626-37 (2007)


Article DOI: 10.1016/j.bmc.2007.09.003
BindingDB Entry DOI: 10.7270/Q29K4C27
More data for this
Ligand-Target Pair